N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1-piperidin-1-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1-piperidin-1-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-1-(1-piperidylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-piperidinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-4-fluoro-benzyl)-1-piperidinosulfonyl-isonipecotamide Formula: C18H25ClFN3O3S MolecularWeight: 417.925803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H25ClFN3O3S/c19-17-12-16(20)5-4-15(17)13-21-18(24)14-6-10-23(11-7-14)27(25,26)22-8-2-1-3-9-22/h4-5,12,14H,1-3,6-11,13H2,(H,21,24)